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8Q9

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OAZCAYsing1.43Å1.48Å
OAZCBAsing1.43Å1.46Å
CBECBDdoub1.38Å1.39ÅAromatic
CBECBFsing1.38Å1.40ÅAromatic
CBDCBCsing1.39Å1.42ÅAromatic
CAYCAXsing1.53Å1.53Å
CBIOBHsing1.43Å1.44Å
OASCARdoub1.21Å1.24Å
CBACBBsing1.53Å1.54Å
NAWCAXsing1.47Å1.48Å
NAWCBBsing1.47Å1.48Å
NAWCAVsing1.47Å1.47Å
CAUCAVsing1.53Å1.51Å
CAUNATsing1.46Å1.48Å
BRBJCBFsing1.89Å1.86Å
CBFCBGdoub1.38Å1.37ÅAromatic
CBCOBHsing1.36Å1.37Å
CBCCAPdoub1.39Å1.40ÅAromatic
CARNATsing1.35Å1.35Å
CARCAQsing1.51Å1.51Å
CBGCAPsing1.38Å1.39ÅAromatic
CAQOALsing1.43Å1.46Å
CAPSAMsing1.76Å1.77Å
OALCABsing1.36Å1.40Å
OAOSAMdoub1.42Å1.48Å
SAMNAKsing1.66Å1.70Å
SAMOANdoub1.42Å1.49Å
CABCACsing1.38Å1.41ÅAromatic
CABCAAdoub1.40Å1.40ÅAromatic
CACCADdoub1.39Å1.36ÅAromatic
NAKCAAsing1.40Å1.36Å
CAACAFsing1.38Å1.40ÅAromatic
CADOAGsing1.35Å1.35ÅAromatic
CADCAEsing1.40Å1.36ÅAromatic
CAFCAEdoub1.40Å1.35ÅAromatic
OAGNAHsing1.41Å1.50ÅAromatic
CAECAIsing1.46Å1.35ÅAromatic
NAHCAIdoub1.30Å1.32ÅAromatic
CAICAJsing1.51Å1.52Å
CAXH1sing1.09Å1.10Å
CAXH2sing1.09Å1.10Å
CAYH3sing1.09Å1.10Å
CAYH4sing1.09Å1.10Å
CBAH5sing1.09Å1.10Å
CBAH6sing1.09Å1.10Å
CBBH7sing1.09Å1.10Å
CBBH8sing1.09Å1.10Å
CAVH10sing1.09Å1.10Å
CAVH11sing1.09Å1.10Å
CAUH12sing1.09Å1.10Å
CAUH13sing1.09Å1.10Å
NATH14sing0.97Å1.00Å
CAQH15sing1.09Å1.10Å
CAQH16sing1.09Å1.10Å
CACH17sing1.08Å1.08Å
CAJH18sing1.09Å1.10Å
CAJH19sing1.09Å1.10Å
CAJH20sing1.09Å1.10Å
CAFH21sing1.08Å1.08Å
NAKH22sing0.97Å1.00Å
CBGH23sing1.08Å1.08Å
CBEH24sing1.08Å1.08Å
CBDH25sing1.08Å1.08Å
CBIH26sing1.09Å1.10Å
CBIH27sing1.09Å1.10Å
CBIH28sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAYOAZCBA113.5°113.8°
OAZCAYCAX107.3°109.2°
OAZCAYH3110.0°109.5°
OAZCAYH4110.0°109.6°
OAZCBACBB109.3°109.2°
OAZCBAH5109.5°109.5°
OAZCBAH6109.5°109.5°
CBDCBECBF120.2°120.1°
CBECBDCBC119.5°120.0°
CBDCBEH24119.9°120.0°
CBECBDH25120.2°120.0°
CBECBFBRBJ122.8°120.0°
CBECBFCBG120.2°120.1°
CBFCBEH24119.9°120.0°
CBDCBCOBH123.6°120.1°
CBDCBCCAP119.4°119.9°
CBCCBDH25120.2°120.0°
CAYCAXNAW113.1°109.3°
CAYCAXH1108.6°109.5°
CAYCAXH2108.6°109.5°
CAXCAYH3110.0°109.5°
CAXCAYH4110.0°109.5°
CBIOBHCBC119.3°117.0°
OBHCBIH26109.5°109.4°
OBHCBIH27109.4°109.5°
OBHCBIH28109.5°109.5°
OASCARNAT123.7°120.0°
OASCARCAQ118.8°120.0°
CBACBBNAW111.0°109.3°
CBBCBAH5109.5°109.5°
CBBCBAH6109.5°109.5°
CBACBBH7109.1°109.5°
CBACBBH8109.1°109.5°
CAXNAWCBB108.2°110.7°
CAXNAWCAV108.7°111.0°
NAWCAXH1108.6°109.5°
NAWCAXH2108.6°109.5°
CBBNAWCAV111.9°111.1°
NAWCBBH7109.1°109.5°
NAWCBBH8109.1°109.5°
NAWCAVCAU106.7°109.5°
NAWCAVH10110.2°109.5°
NAWCAVH11110.2°109.5°
CAVCAUNAT105.9°109.5°
CAUCAVH10110.2°109.5°
CAUCAVH11110.1°109.5°
CAVCAUH12110.4°109.4°
CAVCAUH13110.4°109.5°
CAUNATCAR124.2°120.0°
NATCAUH12110.3°109.5°
NATCAUH13110.4°109.5°
CAUNATH14117.9°120.0°
BRBJCBFCBG116.9°120.0°
CBFCBGCAP120.8°120.1°
CBFCBGH23119.6°120.0°
OBHCBCCAP116.9°120.0°
CBCCAPCBG119.8°119.9°
CBCCAPSAM120.8°120.0°
NATCARCAQ117.3°120.0°
CARNATH14117.9°120.0°
CARCAQOAL110.5°109.5°
CARCAQH15109.2°109.4°
CARCAQH16109.2°109.4°
CBGCAPSAM119.5°120.0°
CAPCBGH23119.6°120.0°
CAQOALCAB115.8°117.0°
OALCAQH15109.2°109.4°
OALCAQH16109.2°109.5°
CAPSAMOAO108.7°106.4°
CAPSAMNAK106.1°107.2°
CAPSAMOAN106.4°106.4°
OALCABCAC126.1°119.8°
OALCABCAA115.9°119.7°
OAOSAMNAK110.0°106.4°
OAOSAMOAN115.6°123.2°
NAKSAMOAN109.5°106.4°
SAMNAKCAA121.9°120.0°
SAMNAKH22106.3°120.0°
CACCABCAA118.0°120.5°
CABCACCAD120.1°120.0°
CABCACH17119.9°120.0°
CABCAANAK115.1°119.9°
CABCAACAF119.4°120.2°
CACCADOAG129.5°133.2°
CACCADCAE121.7°119.7°
CADCACH17119.9°120.0°
NAKCAACAF125.4°119.9°
CAANAKH22106.3°120.0°
CAACAFCAE120.6°119.7°
CAACAFH21119.7°120.2°
OAGCADCAE108.7°107.1°
CADOAGNAH105.8°109.3°
CADCAECAF120.1°120.0°
CADCAECAI108.8°106.4°
CAFCAECAI131.1°133.6°
CAECAFH21119.7°120.1°
OAGNAHCAI104.9°109.7°
CAECAINAH111.7°107.4°
CAECAICAJ125.7°126.3°
NAHCAICAJ122.6°126.3°
CAICAJH18109.5°109.5°
CAICAJH19109.4°109.5°
CAICAJH20109.5°109.5°
H1CAXH2109.5°109.6°
H3CAYH4109.5°109.5°
H5CBAH6109.5°109.6°
H7CBBH8109.5°109.5°
H10CAVH11109.5°109.5°
H12CAUH13109.4°109.5°
H15CAQH16109.5°109.5°
H18CAJH19109.5°109.5°
H18CAJH20109.5°109.4°
H19CAJH20109.5°109.5°
H26CBIH27109.5°109.5°
H26CBIH28109.5°109.5°
H27CBIH28109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAZCAYCAXH3119.7°119.9°
OAZCAYCAXH4119.6°120.0°
CAYOAZCBACBB61.9°58.7°
OAZCAYCAXNAW10.8°56.9°
OAZCAYCAXH1109.8°63.1°
OAZCAYCAXH2131.3°176.8°
OAZCAYH3H4121.0°120.2°
CAYOAZCBAH5178.2°61.2°
CAYOAZCBAH658.1°178.6°
CBAOAZCAYCAX52.1°58.7°
OAZCBACBBH5120.0°119.9°
OAZCBACBBH6120.0°119.9°
OAZCBACBBNAW6.0°56.8°
CBAOAZCAYH367.5°61.2°
CBAOAZCAYH4171.8°178.6°
OAZCBAH5H6120.1°120.1°
OAZCBACBBH7114.2°176.8°
OAZCBACBBH8126.3°63.2°
CBDCBECBFH24180.0°179.7°
CBECBDCBCH25180.0°179.8°
CBDCBECBFBRBJ179.5°180.0°
CBDCBECBFCBG1.0°0.0°
CBECBDCBCOBH178.6°180.0°
CBECBDCBCCAP0.3°0.5°
CBFCBECBDCBC0.3°0.3°
CBECBFBRBJCBG179.5°179.9°
CBECBFCBGCAP1.6°0.0°
CBECBFCBGH23178.4°180.0°
CBFCBECBDH25179.7°180.0°
CBDCBCOBHCBI6.9°0.0°
CBDCBCOBHCAP178.9°179.5°
CBDCBCCAPCBG0.8°0.5°
CBDCBCCAPSAM179.3°179.7°
CBCCBDCBEH24179.6°180.0°
CAYCAXNAWH1120.6°119.9°
CAYCAXNAWH2120.5°119.9°
CAYCAXNAWCBB63.0°58.6°
CAYCAXNAWCAV175.2°177.6°
CAYCAXH1H2118.4°120.1°
CAXCAYH3H4121.0°120.1°
CBIOBHCBCCAP172.0°179.5°
OBHCBIH26H27120.0°120.0°
OBHCBIH26H28120.0°120.0°
OBHCBIH27H28120.0°120.0°
OASCARNATCAU3.8°0.0°
OASCARNATCAQ175.0°180.0°
OASCARCAQOAL161.7°0.0°
OASCARNATH14176.2°180.0°
OASCARCAQH1578.2°120.0°
OASCARCAQH1641.5°120.0°
CBACBBNAWCAX52.5°58.6°
CBACBBNAWH7120.2°119.9°
CBACBBNAWH8120.2°120.0°
CBACBBNAWCAV172.3°177.6°
CBBCBAH5H6120.1°120.2°
CBACBBH7H8119.3°120.1°
CAXNAWCBBCAV119.8°123.7°
CAXNAWCAVCAU157.5°170.0°
NAWCAXH1H2118.4°120.1°
NAWCAXCAYH3130.5°63.0°
NAWCAXCAYH4108.9°176.8°
CAXNAWCBBH7172.8°178.6°
CAXNAWCBBH867.7°61.3°
CAXNAWCAVH1083.0°70.0°
CAXNAWCAVH1137.9°50.0°
CBBNAWCAVCAU83.0°66.4°
CBBNAWCAXH157.5°61.3°
CBBNAWCAXH2176.4°178.6°
NAWCBBCBAH5126.0°63.0°
NAWCBBCBAH6113.9°176.8°
NAWCBBH7H8119.3°120.1°
CBBNAWCAVH1036.5°53.6°
CBBNAWCAVH11157.4°173.6°
NAWCAVCAUH10119.6°120.0°
NAWCAVCAUH11119.6°120.0°
NAWCAVCAUNAT179.3°180.0°
CAVNAWCAXH164.3°62.5°
CAVNAWCAXH254.7°57.7°
CAVNAWCBBH767.4°57.7°
CAVNAWCBBH852.1°62.4°
NAWCAVH10H11121.3°120.0°
NAWCAVCAUH1261.2°60.0°
NAWCAVCAUH1359.9°60.0°
CAVCAUNATH12119.5°120.0°
CAVCAUNATH13119.4°120.0°
CAVCAUNATCAR89.5°180.0°
CAUCAVH10H11121.3°120.0°
CAVCAUH12H13121.6°120.0°
CAVCAUNATH1490.5°0.0°
CAUNATCARH14180.0°179.9°
CAUNATCARCAQ178.8°180.0°
NATCAUCAVH1059.7°60.0°
NATCAUCAVH1161.1°60.0°
NATCAUH12H13121.6°120.0°
BRBJCBFCBGCAP178.9°179.9°
BRBJCBFCBGH231.1°0.1°
BRBJCBFCBEH240.5°0.3°
CBFCBGCAPCBC1.4°0.2°
CBFCBGCAPH23180.0°180.0°
CBFCBGCAPSAM180.0°180.0°
CBGCBFCBEH24179.0°179.7°
OBHCBCCAPCBG178.1°180.0°
OBHCBCCAPSAM0.4°0.2°
OBHCBCCBDH251.4°0.2°
CBCOBHCBIH26180.0°60.0°
CBCOBHCBIH2760.0°60.0°
CBCOBHCBIH2860.0°180.0°
CBCCAPCBGSAM178.6°179.8°
CBCCAPSAMOAO53.1°48.8°
CBCCAPSAMNAK65.2°64.7°
CBCCAPSAMOAN178.3°178.3°
CBCCAPCBGH23178.5°179.8°
CAPCBCCBDH25179.8°179.7°
NATCARCAQOAL23.1°180.0°
CARNATCAUH1229.9°60.0°
CARNATCAUH13151.0°60.0°
NATCARCAQH1597.1°60.0°
NATCARCAQH16143.2°60.0°
CARCAQOALH15120.1°120.0°
CARCAQOALH16120.2°120.0°
CARCAQOALCAB173.4°180.0°
CAQCARNATH141.2°0.0°
CARCAQH15H16119.5°120.0°
CBGCAPSAMOAO125.4°131.0°
CBGCAPSAMNAK116.3°115.5°
CBGCAPSAMOAN0.3°1.9°
CAQOALCABCAC0.5°0.0°
CAQOALCABCAA178.8°179.7°
OALCAQH15H16119.5°120.1°
CAPSAMOAONAK115.7°114.1°
CAPSAMOAOOAN119.6°123.0°
CAPSAMNAKOAN114.5°113.5°
CAPSAMNAKCAA64.4°60.2°
CAPSAMNAKH22173.8°119.8°
SAMCAPCBGH230.0°0.0°
OALCABCACCAA179.3°179.7°
OALCABCACCAD178.1°180.0°
OALCABCAANAK2.4°0.0°
OALCABCAACAF178.9°179.7°
CABOALCAQH1553.2°60.0°
CABOALCAQH1666.4°60.0°
OALCABCACH171.9°0.1°
OAOSAMNAKOAN128.1°132.9°
OAOSAMNAKCAA178.2°173.8°
OAOSAMNAKH2256.5°6.2°
SAMNAKCAACAB122.7°144.3°
SAMNAKCAAH22121.7°180.0°
SAMNAKCAACAF61.0°35.4°
OANSAMNAKCAA50.0°53.3°
OANSAMNAKH2271.7°126.7°
CABCACCADH17180.0°179.9°
CACCABCAANAK176.9°179.7°
CACCABCAACAF0.4°0.6°
CABCACCADOAG179.9°179.9°
CABCACCADCAE1.7°0.0°
CAACABCACCAD1.2°0.3°
CABCAANAKCAF176.3°179.7°
CABCAACAFCAE0.1°0.6°
CAACABCACH17178.8°179.8°
CABCAACAFH21179.9°179.7°
CABCAANAKH22115.6°35.7°
CACCADOAGCAE178.5°180.0°
CACCADCAECAF1.4°0.0°
CACCADOAGNAH178.1°180.0°
CACCADCAECAI178.9°180.0°
NAKCAACAFCAE176.3°179.7°
NAKCAACAFH213.7°0.0°
CAACAFCAECAD0.6°0.3°
CAACAFCAEH21180.0°179.7°
CAACAFCAECAI179.8°179.7°
CAFCAANAKH2260.7°144.6°
OAGCADCAECAF179.9°180.0°
OAGCADCAECAI0.3°0.0°
CADOAGNAHCAI1.0°0.1°
OAGCADCACH170.1°0.1°
CADCAECAFCAI179.6°180.0°
CAECADOAGNAH0.4°0.0°
CADCAECAINAH1.0°0.0°
CADCAECAICAJ180.0°180.0°
CAECADCACH17178.3°179.9°
CADCAECAFH21179.4°180.0°
CAFCAECAINAH179.4°180.0°
CAFCAECAICAJ0.4°0.0°
OAGNAHCAICAE1.2°0.0°
OAGNAHCAICAJ179.8°180.0°
CAECAINAHCAJ179.0°180.0°
CAECAICAJH18178.9°90.0°
CAECAICAJH1958.9°30.0°
CAECAICAJH2061.1°150.0°
CAICAECAFH210.2°0.0°
NAHCAICAJH180.0°89.9°
NAHCAICAJH19120.0°150.1°
NAHCAICAJH20120.0°30.0°
CAICAJH18H19120.0°120.1°
CAICAJH18H20120.0°120.0°
CAICAJH19H20120.0°120.1°
H1CAXCAYH39.9°177.0°
H1CAXCAYH4130.6°56.9°
H2CAXCAYH3109.0°56.9°
H2CAXCAYH411.7°63.3°
H5CBACBBH75.8°56.9°
H5CBACBBH8113.8°177.0°
H6CBACBBH7125.8°63.3°
H6CBACBBH86.3°56.8°
H10CAVCAUH12179.2°180.0°
H10CAVCAUH1359.7°60.0°
H11CAVCAUH1258.3°60.0°
H11CAVCAUH13179.4°180.0°
H12CAUNATH14150.1°119.9°
H13CAUNATH1429.0°120.0°
H18CAJH19H20120.0°119.9°
H24CBECBDH250.4°0.2°
H26CBIH27H28120.0°120.0°

223532

PDB entries from 2024-08-07

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